SCHEMBL3337069

SCHEMBL3337069

CC(C)(C)OC(=O)NC(COS(C)(=O)=O)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.43
CTSK P43235 3/20 0.43
FAAH O00519 1/20 0.40
TSHR P16473 4/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 4/20 0.39
HPGD P15428 3/20 0.39
HTT P42858 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TP53 P04637 2/20 0.39
JAK2 O60674 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
PKM P14618 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALOX15 P16050 1/20 0.37
XBP1 P17861 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL391352 0.88 PPARG (0.42) CTSSCTSKTSHRLMNAMEN1
SCHEMBL669318 0.87 CTSK (0.49) CTSSCTSKTSHRLMNAMEN1
SCHEMBL669317 0.87 CTSK (0.49) CTSSCTSKTSHRLMNAMEN1
SCHEMBL4160654 0.87 CTSK (0.49) CTSSCTSKTSHRLMNAMEN1
SCHEMBL21509860 0.86 ALDH1A1 (0.46) CTSSCTSKTSHRLMNAMEN1
SCHEMBL23631965 0.85 MMP13 (0.42) CTSSCTSKTSHRLMNAMEN1
SCHEMBL18796337 0.85 CTSS (0.42) CTSSCTSKTSHRLMNAMEN1
SCHEMBL23631963 0.85 MMP13 (0.42) CTSSCTSKTSHRLMNAMEN1
SCHEMBL12497600 0.84 HPGD (0.39) LMNAALDH1A1NPSR1HPGDHTT
SCHEMBL12497603 0.84 HPGD (0.39) LMNAALDH1A1NPSR1HPGDHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 US disclosed
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 US disclosed
EP-1686999-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2006-08-09 EP disclosed
WO-2005049033-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSYNE KINASES ASTRAZENECA AB (SE) 2005-06-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 CTSS 3636/4885CTSK 731/4885FAAH 4278/4885
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK CTSS 3679/4885CTSK 745/4885FAAH 4180/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.